BDBM50106298 CHEMBL3596275::US9550771, Example 72

SMILES COc1cccc(Cl)c1C(=O)c1nc(c2CCCCn12)-c1ccc(cc1F)C(O)=O

InChI Key InChIKey=XYJWRFFZVGIEEG-UHFFFAOYSA-N

Data  1 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50106298   

TargetNuclear receptor ROR-gamma [262-507](Human)
Genentech

US Patent
LigandPNGBDBM50106298(CHEMBL3596275 | US9550771, Example 72)
Affinity DataEC50:  236nMT: 2°CAssay Description:ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/29/2018
Entry Details
US Patent

TargetNuclear receptor ROR-gamma(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50106298(CHEMBL3596275 | US9550771, Example 72)
Affinity DataEC50:  240nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2016
Entry Details Article
PubMed
LigandPNGBDBM50106298(CHEMBL3596275 | US9550771, Example 72)
Affinity DataIC50: 5.50E+3nMAssay Description:Displacement of fluormone PPARgamma green from GST-tagged human PPARgamma-LBD after 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2016
Entry Details Article
PubMed